5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-isopropyl-2-(o-tolyl)pentanenitrile CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-isopropyl-2-(o-tolyl)valeronitrile Formula: C24H30N2O2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCNCC2COC3=CC=CC=C3O2)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(CCCNCC2COC3=CC=CC=C3O2)(C#N)C(C)C

InChI

InChI=1S/C24H30N2O2/c1-18(2)24(17-25,21-10-5-4-9-19(21)3)13-8-14-26-15-20-16-27-22-11-6-7-12-23(22)28-20/h4-7,9-12,18,20,26H,8,13-16H2,1-3H3